Compound Detail

CHEMBL2333163

SESQUIBASTADIN 1

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O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(Oc2ccc(CCNC(=O)/C(Cc3cc(Br)c(O)c(-c4cc(C/C(=N\O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)c3)=N/O)cc2Br)c1)=N/O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2333163
Name	SESQUIBASTADIN 1
Phase	Preclinical
Structure Type	MOL
InChI Key	VRWFLNVDDMVVDA-OFMCOEKFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1412.4

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C51H44Br6N6O12
MW	1412.37

Activity Summary

IC50 22 meas. best 6.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	6.22	6.22	600.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	6.22	6.22	600.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.22	6.22	600.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.16	6.16	700.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	IC50	6.16	6.16	700.0	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	6.1	6.1	800.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	6.0	6.0	1000.0	1
Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899	IC50	5.89	5.89	1300.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	IC50	5.85	5.85	1400.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.85	5.85	1400.0	1
Insulin receptor CHEMBL1981	IC50	5.85	5.85	1400.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	5.8	5.8	1600.0	1
NUAK family SNF1-like kinase 1 CHEMBL5784	IC50	5.77	5.77	1700.0	1
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	5.77	5.77	1700.0	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	5.68	5.68	2100.0	1
Aurora kinase B CHEMBL2185	IC50	5.64	5.64	2300.0	1
Aurora kinase A CHEMBL4722	IC50	5.58	5.58	2600.0	1
Ephrin type-B receptor 4 CHEMBL5147	IC50	5.47	5.47	3400.0	1
Focal adhesion kinase 1 CHEMBL2695	IC50	5.46	5.46	3500.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	5.4	5.4	4000.0	1
Serine/threonine-protein kinase PLK1 CHEMBL3024	IC50	5.19	5.19	6400.0	1
Cyclin-dependent kinase 2/cyclin A CHEMBL2094128	IC50	5.19	5.19	6500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Angiopoietin-1 receptor	IC50	=	600.0	nM	6.22	Inhibition of TIE2 (unknown origin)	23249297
Vascular endothelial growth factor receptor 2	IC50	=	600.0	nM	6.22	Inhibition of VEGFR2 (unknown origin)	23249297
Epidermal growth factor receptor	IC50	=	600.0	nM	6.22	Inhibition of EGFR (unknown origin)	23249297
Serine/threonine-protein kinase PLK4	IC50	=	700.0	nM	6.16	Inhibition of SAK (unknown origin)	23249297
Proto-oncogene tyrosine-protein kinase Src	IC50	=	700.0	nM	6.16	Inhibition of SRC (unknown origin)	23249297
Hepatocyte growth factor receptor	IC50	=	800.0	nM	6.1	Inhibition of MET (unknown origin)	23249297
Insulin-like growth factor 1 receptor	IC50	=	1000.0	nM	6.0	Inhibition of IGF1R (unknown origin)	23249297
Mitogen-activated protein kinase kinase kinase 8	IC50	=	1300.0	nM	5.89	Inhibition of COT (unknown origin)	23249297
Cyclin-dependent kinase 4/cyclin D1	IC50	=	1400.0	nM	5.85	Inhibition of CDK4/cyclin-D1 (unknown origin)	23249297
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1400.0	nM	5.85	Inhibition of FLT3 (unknown origin)	23249297
Insulin receptor	IC50	=	1400.0	nM	5.85	Inhibition of INSR (unknown origin)	23249297
Vascular endothelial growth factor receptor 3	IC50	=	1600.0	nM	5.8	Inhibition of VEGFR3 (unknown origin)	23249297
NUAK family SNF1-like kinase 1	IC50	=	1700.0	nM	5.77	Inhibition of ARK5 (unknown origin)	23249297
Serine/threonine-protein kinase B-raf	IC50	=	1700.0	nM	5.77	Inhibition of B-RAF V600E mutant (unknown origin)	23249297
Receptor tyrosine-protein kinase erbB-2	IC50	=	2100.0	nM	5.68	Inhibition of ERBB2 (unknown origin)	23249297
Aurora kinase B	IC50	=	2300.0	nM	5.64	Inhibition of aurora-B (unknown origin)	23249297
Aurora kinase A	IC50	=	2600.0	nM	5.58	Inhibition of aurora-A (unknown origin)	23249297
Ephrin type-B receptor 4	IC50	=	3400.0	nM	5.47	Inhibition of EPHB4 (unknown origin)	23249297
Focal adhesion kinase 1	IC50	=	3500.0	nM	5.46	Inhibition of FAK (unknown origin)	23249297
Platelet-derived growth factor receptor beta	IC50	=	4000.0	nM	5.4	Inhibition of PDGFR-beta (unknown origin)	23249297

Literature References

PubMed	DOI	Target Context	# Activities
23249297	10.1021/np300764u	Receptor-type tyrosine-protein kinase FLT3	1
23249297	10.1021/np300764u	L5178Y	1
23249297	10.1021/np300764u	Angiopoietin-1 receptor	1
23249297	10.1021/np300764u	Proto-oncogene tyrosine-protein kinase Src	1
23249297	10.1021/np300764u	Serine/threonine-protein kinase PLK4	1
23249297	10.1021/np300764u	Serine/threonine-protein kinase PLK1	1
23249297	10.1021/np300764u	Platelet-derived growth factor receptor beta	1
23249297	10.1021/np300764u	Hepatocyte growth factor receptor	1
23249297	10.1021/np300764u	Insulin receptor	1
23249297	10.1021/np300764u	Focal adhesion kinase 1	1
23249297	10.1021/np300764u	Insulin-like growth factor 1 receptor	1
23249297	10.1021/np300764u	NUAK family SNF1-like kinase 1	1
23249297	10.1021/np300764u	Receptor tyrosine-protein kinase erbB-2	1
23249297	10.1021/np300764u	Ephrin type-B receptor 4	1
23249297	10.1021/np300764u	Epidermal growth factor receptor	1
23249297	10.1021/np300764u	Mitogen-activated protein kinase kinase kinase 8	1
23249297	10.1021/np300764u	Cyclin-dependent kinase 4/cyclin D1	1
23249297	10.1021/np300764u	Cyclin-dependent kinase 2/cyclin A	1
23249297	10.1021/np300764u	Serine/threonine-protein kinase B-raf	1
23249297	10.1021/np300764u	Aurora kinase B	1

Data from ChEMBL 36 via Core Engine